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Chemical ID: 6039304

Chemical ID:

6039304

Name [?]:

N-[2-(isobutylcarbamoyl)ethyl]-5-methyl-pyrazine-2-carboxamide

SMILES [?]:

Cc1cnc(cn1)C(=O)NCCC(=O)NCC(C)C

InChi [?]:

InChI=1/C13H20N4O2/c1-9(2)6-17-12(18)4-5-14-13(19)11-8-15-10(3)7-16-11/h7-9H,4-6H2,1-3H3,(H,14,19)(H,17,18)

InChi Info:

AuxInfo=1/1/N:18,19,1,12,11,16,3,6,17,2,5,13,8,10,7,4,15,14,9/E:(1,2)/rA:19nCCCNCCNCONCCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₂₀N₄O₂
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	9.29597
Area:	501.021
Solvation:	-3.22954
Coulombic:	-52.0716

Bond Count [?]

All:	19
Single:	14
Double:	5
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	264.324
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	0.22
LogP (Chemaxon):	-0.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value